%chk=000056076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056076

0 1
 O   -2.702400      0.2457000      0.1763000    
 O    1.757100       2.439200      0.3102000    
 O   -1.529000      -1.725400     -6.3000001E-02
 O    3.524500      -1.757400     -0.2206000    
 N    1.364900     -0.9118000     -0.5159000    
 N    2.976000      0.4721000      0.1479000    
 C   0.6791000      0.3579000     -0.3884000    
 C  -0.3989000      0.2970000      0.6854000    
 C    1.842000       1.243300      6.5399997E-02
 C   0.1383000      0.8301000      -1.731400    
 C   0.1523000     -0.2806000       1.985200    
 C   -1.582200     -0.5354000      0.2193000    
 C    2.720900     -0.8354000     -0.1970000    
 C   -3.900800     -0.4170000     -0.2393000    
 C   -5.041800      0.5779000     -0.2340000    
 H  -0.7539000       1.314500      0.8996000    
 H   0.9110000      -1.771800     -0.8084000    
 H   0.9522000      0.9917000      -2.448600    
 H  -0.5408000      9.8800004E-02  -2.182700    
 H  -0.3951000       1.782000      -1.631500    
 H   0.9789000      0.3126000       2.387700    
 H   0.4835000      -1.319500       1.881600    
 H  -0.6351000     -0.2872000       2.748700    
 H    3.885200      0.8216000      0.4278000    
 H   -3.764100     -0.8182000      -1.249800    
 H   -4.122300      -1.238200      0.4515000    
 H   -5.975800      0.1037000     -0.5477000    
 H   -5.178800       1.001700      0.7663000    
 H   -4.826400       1.414600     -0.9067000    


%chk=000056076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056076

0 1
O -2.800066 0.233126 0.188864
O 2.069919 2.384791 0.430614
O -1.455527 -1.362342 -0.837379
O 3.388172 -2.129144 0.009528
N 1.368068 -0.982903 -0.541278
N 3.044987 0.219602 0.332924
C 0.842691 0.395721 -0.495375
C -0.424892 0.524049 0.412373
C 2.035812 1.161897 0.150389
C 0.586782 0.973286 -1.911489
C -0.179560 0.082914 1.882772
C -1.572805 -0.304974 -0.164396
C 2.662634 -1.110625 -0.072628
C -4.018070 -0.533567 -0.238561
C -5.225379 0.228381 0.295372
H -0.728895 1.586448 0.413833
H 0.794406 -1.762967 -0.864806
H 1.490104 0.867819 -2.536017
H -0.239000 0.433671 -2.405397
H 0.333465 2.045214 -1.839580
H 0.577811 0.733761 2.352350
H 0.170546 -0.962834 1.930173
H -1.111644 0.171611 2.465641
H 3.969387 0.420502 0.715204
H -4.009085 -0.601769 -1.341149
H -3.941029 -1.556609 0.171443
H -6.153959 -0.295545 0.004400
H -5.195668 0.295647 1.396110
H -5.260706 1.251339 -0.116036


